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Phonon Software ver. 5.10

Phonon ver. 5.10 has been highly modified and improved with respect to Phonon ver. 4.28 / 4.30.
New options of Phonon ver. 5.10 are:

  • entirely new interface based on Microsoft Windows and Linux X-Windows,
  • possibility to open plots in several windows,
  • separated ab initio and modeling options,
  • automatic update of lattice constants and atomic positions after ab initio optimization,
  • plot of phonon intensities with colours defined by User,
  • easier setting of wave vectors and wave numbers in Brillouin zones,
  • setting of plot parameters by User,
  • internal "Animator" routine, which allows show vibrational motion of any selected phonon mode,
  • option to plot phonon intensities with selected filter at constant wavenumber q,
  • possibility to plot x-rays scattering with atomic form factor included,
  • option to plot nuclear inelastic scattering (NIS),
  • routine to calculate phononic part of dielectric constant,
  • USB dongle, which works without a driver.
  • and others.

Phonon Software ver. 5.11

It is a patch to ver. 5.10. In Phonon Software ver. 5.11 number of small bugs have been removed. A dialog, which allows to find the low-symmetry space groups for degenerate phonon modes in which condenses a combination of components of irreducible representations, can be searched using FindSym program.

Phonon Software ver. 5.12

It is a patch to ver. 5.10, 5.11. Some small bugs have been removed. Missing 2π factor in Coherent Form Factor for neutron and X-rays Form Factor for x-ray scatterings have been added. Needed to derive properly PALD. Units of J/mol, cal/mol and J/molK, cal/molK while ploting thermodynamic functions E, F and S, Cv, respectively, were corrected.

Last update: October 10, 2013